3-nitro-4-[4-[1-(4-propan-2-ylphenyl)ethyl]piperazin-1-yl]benzaldehyde

Systemtic Name: 3-nitro-4-[4-[1-(4-propan-2-ylphenyl)ethyl]piperazin-1-yl]benzaldehyde Openeye Name: 4-[4-[1-(4-isopropylphenyl)ethyl]piperazin-1-yl]-3-nitro-benzaldehyde CAS Name: 3-nitro-4-[4-[1-(4-propan-2-ylphenyl)ethyl]-1-piperazinyl]benzaldehyde IUPAC Name: 3-nitro-4-[4-[1-(4-propan-2-ylphenyl)ethyl]piperazin-1-yl]benzaldehyde Traditional Name: 3-nitro-4-[4-(1-p-cumenylethyl)piperazino]benzaldehyde Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(C)N2CCN(CC2)C3=C(C=C(C=C3)C=O)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(C)N2CCN(CC2)C3=C(C=C(C=C3)C=O)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O3/c1-16(2)19-5-7-20(8-6-19)17(3)23-10-12-24(13-11-23)21-9-4-18(15-26)14-22(21)25(27)28/h4-9,14-17H,10-13H2,1-3H3